Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-571209 | Y3(B3Os4)2 | data_[Y12B24Os32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5252]
_cell_length_b [9.5793]
_cell_length_c [17.6825]
_ce... |
mp-1103975 | YbC6 | data_[Yb2C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3422]
_cell_length_b [4.3422]
_cell_length_c [8.7656]
_cell_angle_alpha [90.0000]
_cel... |
mp-30844 | ScSnPt2 | data_[Sc4Sn4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6251]
_cell_length_b [6.6251]
_cell_length_c [6.6251]
_c... |
mp-989607 | LaOsN3 | data_[La4Os4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Os 2.2000 1.3000 0.6730
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5740]
_cell_length_b [7.9200]
_cell_length_c [5.5788]
_cel... |
mp-13532 | La2ZnNi2 | data_[La4Zn2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3891]
_cell_length_b [5.5343]
_cell_length_c [8.4837]
_ce... |
mp-755481 | Ca(ClO3)2 | data_[Ca4Cl8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4282]
_cell_length_b [7.5750]
_cell_length_c [7.8882]
_ce... |
mp-999144 | SmNiC2 | data_[Sm2Ni2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7487]
_cell_length_b [4.5360]
_cell_length_c [6.0753]
_cell... |
mp-757621 | Mn6OF11 | data_[Mn12O2F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.6753]
_cell_length_b [6.8666]
_cell_length_c [7.7855]
_cell_a... |
mp-8365 | MnB | data_[Mn4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4620]
_cell_length_b [2.9834]
_cell_length_c [4.1235]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-468 | AlF3 | data_[Al6F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.0344]
_cell_length_b [5.0344]
_cell_length_c [12.6166]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1219696 | Rb(V3S4)2 | data_[Rb1V6S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.2800]
_cell_length_b [9.2800]
_cell_length_c [3.2430]
_cell_an... |
mp-7015 | CsCeS2 | data_[Cs3Ce3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ce 1.1200 1.8500 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2791]
_cell_length_b [4.2791]
_cell_length_c [24.1996]
_cel... |
mp-1206576 | CeIn2Rh | data_[Ce4In8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4219]
_cell_length_b [10.0619]
_cell_length_c [8.2132]
_c... |
mp-865913 | Li2AcSn | data_[Li8Ac4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2378]
_cell_length_b [7.2378]
_cell_length_c [7.2378]
_c... |
mp-974616 | Pt3Rh | data_[Pt6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9436]
_cell_length_b [3.9436]
_cell_length_c [7.9113]
_cell_angle_alpha [90.0000]
_cell... |
mp-1105080 | BPd6 | data_[B8Pd48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.8039]
_cell_length_b [8.1682]
_cell_length_c [17.2016]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-23440 | Y6C2I7 | data_[Y12C4I14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.8947]
_cell_length_b [3.9335]
_cell_length_c [12.9272]
_cell... |
mp-867204 | LiCd2Ag | data_[Li4Cd8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7235]
_cell_length_b [6.7235]
_cell_length_c [6.7235]
_c... |
mp-29558 | Bi3ClO4 | data_[Bi12Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [19.6056]
_cell_length_b [5.7981]
_cell_length_c [5.7923]
_c... |
mp-1019275 | TbCuSn | data_[Tb2Cu2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5445]
_cell_length_b [4.5445]
_cell_length_c [7.5244]... |
mp-23048 | CsMnBr3 | data_[Cs2Mn2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.8588]
_cell_length_b [7.8588]
_cell_length_c [6.5964]... |
mp-504835 | NbNiAs2 | data_[Nb4Ni4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6404]
_cell_length_b [3.5398]
_cell_length_c [12.5980]
_c... |
mp-3129 | ScSi3Ni | data_[Sc4Si12Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8634]
_cell_length_b [20.7535]
_cell_length_c [3.8200]
_... |
mp-1112907 | Cs2HgAsCl6 | data_[Cs8Hg4As4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8516]
_cell_length_b [... |
mp-567332 | Ce | data_[Ce4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7713]
_cell_length_b [3.3242]
_cell_length_c [5.7711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5130]
_cell_angle... |
mp-3034 | MgAl2Cu | data_[Mg4Al8Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9998]
_cell_length_b [9.2942]
_cell_length_c [7.1312]
_ce... |
mp-1206477 | Hf6Al2Ni | data_[Hf6Al2Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8516]
_cell_length_b [7.8516]
_cell_length_c [3.2927]
_c... |
mp-1105234 | YCrTeO6 | data_[Y2Cr2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1914]
_cell_length_b [5.191... |
mp-755792 | LuGaO3 | data_[Lu4Ga4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5382]
_cell_length_b [7.5842]
_cell_length_c [5.2081]
_cel... |
mp-1223867 | K3I2Br | data_[K3I2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9517]
_cell_length_b [4.9517]
_cell_length_c [12.2477]
_cell... |
mp-1215729 | ZnNi9Ge2 | data_[Zn2Ni18Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6482]
_cell_length_b [3.6482]
_cell_length_c [20.4470]... |
mp-567484 | PtCl2 | data_[Pt2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.3844]
_cell_length_b [11.3868]
_cell_length_c [3.4513]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1207728 | Y5(GeSb)2 | data_[Y20Ge8Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.1928]
_cell_length_b [7.9341]
_cell_length_c [7.9444]
_ce... |
mp-1214417 | BaC6 | data_[Ba2C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3394]
_cell_length_b [4.3394]
_cell_length_c [10.7630]
_cell_angle_alpha [90.0000]
_ce... |
mp-1178424 | CoNiO3 | data_[Co6Ni6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.9309]
_cell_length_b [4.9309]
_cell_length_c [13.5584]
_cel... |
mp-16304 | YPPt | data_[Y1P1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1323]
_cell_length_b [4.1323]
_cell_length_c [3.9149]
_cell_... |
mp-610530 | Gd(CoB)2 | data_[Gd2Co4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5563]
_cell_length_b [3.5563]
_cell_length_c [9.5517]
_ce... |
mp-22230 | BaPbO3 | data_[Ba4Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.1339]
_cell_length_b [8.6781]
_cell_length_c [6.2165]
_cel... |
mp-1228891 | AlGaAs2 | data_[Al3Ga3As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0586]
_cell_length_b [4.0586]
_cell_length_c [19.8734]
_ce... |
mp-11564 | TmRh | data_[Tm1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.3830]
_cell_length_b [3.3830]
_cell_length_c [3.3830]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8528 | Tm(SiRh)2 | data_[Tm2Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0514]
_cell_length_b [4.0514]
_cell_length_c [9.9253]
_... |
mp-1226566 | CeOsRu | data_[Ce4Os4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2110]
_cell_length_b [5.5458]
_cell_length_c [7.6371]
_ce... |
mp-754295 | Li3FeOF4 | data_[Li6Fe2O2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9124]
_cell_length_b [3.7490]
_... |
mp-1188853 | CaTcO3 | data_[Ca4Tc4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6199]
_cell_length_b [7.7772]
_cell_length_c [5.4416]
_cel... |
mp-12678 | TaMn2 | data_[Ta4Mn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8077]
_cell_length_b [4.8077]
_cell_length_c [7.9099]
_cell_angle_alpha [90.0000]
_ce... |
mp-1079679 | K2CdSn | data_[K8Cd4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [6.5714]
_cell_length_b [8.6511]
_cell_length_c [11.0224]
_cel... |
mp-756018 | BaMgO2 | data_[Ba3Mg3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [5.9754]
_cell_length_b [5.9754]
_cell_length_c [6.8385]
_ce... |
mp-972882 | Sc2CdAg | data_[Sc8Cd4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9948]
_cell_length_b [6.9948]
_cell_length_c [6.9948]
_c... |
mp-867896 | ScZnCu2 | data_[Sc4Zn4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2147]
_cell_length_b [6.2147]
_cell_length_c [6.2147]
_c... |
mp-20710 | CeSiNi | data_[Ce4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.0109]
_cell_length_b [4.0109]
_cell_length_c [14.0557]
... |
mp-1103522 | Ga5W2 | data_[Ga10W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.1800]
_cell_length_b [9.1800]
_cell_length_c [2.7346]
_cell_angle_alpha [90.0000]
_cell_... |
mp-779545 | Na3CuO2 | data_[Na18Cu6O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.7295]
_cell_length_b [6.7295]
_cell_length_c [13.7627]
_c... |
mp-1184199 | Eu2AgPb | data_[Eu8Ag4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8546]
_cell_length_b [7.8546]
_cell_length_c [7.8546]
_c... |
mp-20328 | U3Se4 | data_[U12Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.6706]
_cell_length_b [8.6706]
_cell_length_c [8.6706]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30545 | Mg2VO4 | data_[Mg16V8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.4478]
_cell_length_b [8.4478]
_cell_length_c [8.4478]
_cel... |
mp-1226514 | InCuSe2 | data_[In1Cu1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1448]
_cell_length_b [4.1448]
_cell_length_c [6.8226]
_ce... |
mp-554868 | Al(MoS2)4 | data_[Al3Mo12S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.9796]
_cell_length_b [6.9796]
_cell_length_c [16.8325]
_ce... |
mp-1217563 | TbFe11W | data_[Tb2Fe22W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6954]
_cell_length_b [8.4844]
_cell_length_c [8.5463]
_cel... |
mp-190 | ReO3 | data_[Re1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7963]
_cell_length_b [3.7963]
_cell_length_c [3.7963]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-567330 | TiCl3 | data_[Ti4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.1126]
_cell_length_b [6.1126]
_cell_length_c [12.5535]
_cell_angle_alpha [90.0000]
_cel... |
mp-752781 | Mn6O5F7 | data_[Mn6O5F7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7159]
_cell_length_b [5.7912]
_cell_length_c [7.1526]
_cell_ang... |
mp-754631 | NaCu2O3 | data_[Na2Cu4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.7507]
_cell_length_b [11.6143]
_cell_length_c [3.4492]
_cel... |
mp-763976 | V4O7F5 | data_[V4O7F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2003]
_cell_length_b [5.3133]
_cell_length_c [7.5822]
_cell_angle... |
mp-1078526 | GaPd | data_[Ga4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [4.9634]
_cell_length_b [4.9634]
_cell_length_c [4.9634]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1030742 | MoW(SeS)2 | data_[Mo2W2Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2555]
_cell_length_b [3.2555]... |
mp-1223837 | In2AsP | data_[In6As3P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2985]
_cell_length_b [4.2985]
_cell_length_c [21.0731]
_cell... |
mp-1219691 | PrAlCu4 | data_[Pr1Al1Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3428]
_cell_length_b [5.3428]
_cell_length_c [4.0288]
_c... |
mp-1038869 | MgCd3 | data_[Mg1Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2693]
_cell_length_b [3.2693]
_cell_length_c [9.6308]
_cell_angle_alpha [90.0000]
_cell_... |
mp-559437 | Zn(CO2)2 | data_[Zn2C4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3844]
_cell_length_b [5.3117]
_cell_length_c [6.3235]
_cell... |
mp-643253 | Ba2H6Pt | data_[Ba8H24Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.5327]
_cell_length_b [6.0303]
_cell_length_c [6.0292]
_ce... |
mp-4950 | KCaF3 | data_[K1Ca1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4817]
_cell_length_b [4.4817]
_cell_length_c [4.4817]
_cell_... |
mp-1310532 | Li2MnCoO4 | data_[Li4Mn2Co2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.0617]
_cell_length_b [6.0519]... |
mp-9066 | NaLi2AsO4 | data_[Na2Li4As2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.0275]
_cell_length_b [5.3... |
mp-16271 | Li2CdSb | data_[Li8Cd4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8180]
_cell_length_b [6.8180]
_cell_length_c [6.8180]
_c... |
mp-569287 | TlPAuSe3 | data_[Tl4P4Au4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4782]
_cell_length_b [7.3... |
mp-30874 | Th5Sn4 | data_[Th10Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.7099]
_cell_length_b [9.7099]
_cell_length_c [6.5888]
_cell_angle_alpha [90.0000]
_c... |
mp-21108 | U6Fe | data_[U24Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.1414]
_cell_length_b [10.1414]
_cell_length_c [5.2532]
_cell_angle_alpha [90.0000]
_cel... |
mp-22144 | Ta2InC | data_[Ta4In2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1675]
_cell_length_b [3.1675]
_cell_length_c [14.5335]
... |
mp-1211403 | K2ZnI4 | data_[K4Zn2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9839]
_cell_length_b [8.3444]
_cell_length_c [9.8737]
_cell... |
mp-1092251 | Nd2CuGe6 | data_[Nd4Cu2Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1639]
_cell_length_b [4.1137]
_cell_length_c [21.9320]
_... |
mp-16483 | BaAl9Fe2 | data_[Ba1Al9Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.0069]
_cell_length_b [8.0069]
_cell_length_c [3.9498]
_... |
mp-1112163 | K2GdCuCl6 | data_[K8Gd4Cu4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3950]
_cell_length_b [10... |
mp-8951 | SmAsPd | data_[Sm2As2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.3752]
_cell_length_b [4.3752]
_cell_length_c [7.6549]
_... |
mp-1104104 | Be12Fe | data_[Be24Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.1508]
_cell_length_b [7.1508]
_cell_length_c [4.0782]
_cell_angle_alpha [90.0000]
_cel... |
mp-1183729 | CeAs3 | data_[Ce1As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3625]
_cell_length_b [4.3625]
_cell_length_c [4.3625]
_cell_angle_alpha [90.0000]
_cell_... |
mp-760282 | Li2VOF4 | data_[Li8V4O4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.3914]
_cell_length_b [5.0952]
_... |
mp-1215335 | ZrAlAu2 | data_[Zr1Al1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1993]
_cell_length_b [3.1993]
_cell_length_c [7.1127]
_... |
mp-1190080 | BeCl2 | data_[Be12Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [9.8549]
_cell_length_b [9.8549]
_cell_length_c [9.8549]
_cell_angle_alpha [90.0000]
_cel... |
mp-569204 | Tl(CuTe)2 | data_[Tl2Cu4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0096]
_cell_length_b [4.0096]
_cell_length_c [15.5833]
... |
mp-20329 | InAgO2 | data_[In2Ag2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3356]
_cell_length_b [3.3356]
_cell_length_c [12.8267]
... |
mp-1225392 | Dy4Ni3Bi8 | data_[Dy4Ni3Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5503]
_cell_length_b [4.5503]
_cell_length_c [18.6720]
_... |
mp-762337 | Li2CuF5 | data_[Li4Cu2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.3168]
_cell_length_b [8.6251]
_cell_length_c [2.9133]
_cel... |
mp-16290 | ZnNi3C | data_[Zn1Ni3C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7663]
_cell_length_b [3.7663]
_cell_length_c [3.7663]
_cel... |
mp-862744 | Pm2ZnIr | data_[Pm8Zn4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1599]
_cell_length_b [7.1599]
_cell_length_c [7.1599]
_c... |
mp-20937 | Cr3C2 | data_[Cr12C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4825]
_cell_length_b [2.7884]
_cell_length_c [11.5101]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-850231 | Li2TiFe3O8 | data_[Li6Ti3Fe9O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9867]
_cell_length_b [5.98... |
mp-753393 | NaVO2 | data_[Na1V1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.0263]
_cell_length_b [3.0263]
_cell_length_c [5.6439]
_cell_... |
mp-1185539 | CeGd3 | data_[Ce1Gd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Gd 1.2000 1.8000 1.0750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0296]
_cell_length_b [5.0296]
_cell_length_c [5.0296]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1114473 | Rb2TlCoF6 | data_[Rb8Tl4Co4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1170]
_cell_length_b [9.1... |
mp-1215220 | ZrMoW | data_[Zr4Mo4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.3941]
_cell_length_b [5.4315]
_cell_length_c [7.6571]
_cell... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.